Molecule card · MolClass #37593
14730932
14730932: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14730932Mitochondrial Fusion · compound_name
- MolClass ID
- 37593
- InChIKey
- PXXBAGPRDBVGPA-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2nnn(c2(CSc1ccccc1))c3nonc3(N)
- Standard InChI
- InChI=1S/C14H14N6O3S/c1-2-22-14(21)11-10(8-24-9-6-4-3-5-7-9)20(19-16-11)13-12(15)17-23-18-13/h3-7H,2,8H2,1H3,(H2,15,17)
- Stored Murcko scaffold
- n1nn(-c2nonc2)c(c1)CSc3ccccc3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 4251890#38135
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 147.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.366 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.91
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 14730932